| Preferred name | tropical 3-thiobutyrate |
| Trivial Name | ethyl 3-methylsulfanylbutanoate |
| Short Description | ethyl 3-(methylthio)butyrate |
| Formula | C7 H14 O2 S |
| CAS Number | 233665-96-8 |
| FEMA Number | 3836 |
| FDA UNII | K3KKZ020B3 |
| MDL | MFCD06204372 |
| xLogP3-AA | 1.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 480 ethyl 3-(methylthio)butyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 233665-96-8 ; ETHYL 3-(METHYLTHIO)BUTYRATE |
| Synonyms |
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| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB009374 |
| Export Tariff Code: | 2930.90.9999 |
| ChemSpider: | View |
| FAO: | Ethyl 3-(methylthio)butyrate |
| Material listed in food chemical codex | No |
| Molecular weight | 162.25198364258 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.322 to 7.381 |
| Boiling Point | 101 to 103°C @ 15 mm Hg |
| Vapor Pressure | 0.16 mmHg @ 25 °C |
| Flash Point TCC Value | 85.7 °C TCC |
| logP (o/w) | 1.919 est |
| Solubility | |
| alcohol | Yes |
| oils | Yes |
| water, very slightly | Yes |
| water, 1726 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Tropical | |
| tropical, fruity, pineapple, sulfurous, earthy, fatty, waxy | |
| General comment | At 0.10 % in dipropylene glycol. tropical fruity red fruit pineapple sulfurous |
| Mosciano, Gerard P&F 25, No. 3, 25, (2000) | At 1.00 %. Tropical fruity, red fruit, pineapple with sulfurous, earthy, fatty and waxy nuances |
| Flavor Type: Sulfurous | |
| sulfurous, tropical, fruit overripe fruit, pulpy, vegetable, cheesy | |
| Mosciano, Gerard P&F 25, No. 3, 25, (2000) | At 2.50 - 10.00 ppm. Mild sulfurous with tropical overripe fruity pulpy notes. Vegetative and cheesy nuances |
| Applications | |
| Odor purposes | Blueberry , Fungus , Kiwi , Mango , Peach , Pineapple , Strawberry |
| Flavoring purposes | Cheese blue cheese , Tropical |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for tropical 3-thiobutyrate usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Structure Class: | I | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 10.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 1.00000 | 2.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 10.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | 0.50000 | 5.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 10.00000 | 10.00000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 1.00000 | 10.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :22213645 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| ethyl 3-methylsulfanylbutanoate |
| Chemidplus:0233665968 |